6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

C26H28N2O4 — CID 91005848

IUPAC6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O
InChIInChI=1S/C26H28N2O4/c1-19(20-8-10-21(11-9-20)22-12-15-27-24(30)18-22)28-16-14-26(13-5-17-29,32-25(28)31)23-6-3-2-4-7-23/h2-4,6-12,15,18-19,29H,5,13-14,16-17H2,1H3,(H,27,30)
InChIKeyUWDFOMGWYKIOAS-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.61
Rot. Bonds7

About 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 91005848) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID91005848
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O
InChIInChI=1S/C26H28N2O4/c1-19(20-8-10-21(11-9-20)22-12-15-27-24(30)18-22)28-16-14-26(13-5-17-29,32-25(28)31)23-6-3-2-4-7-23/h2-4,6-12,15,18-19,29H,5,13-14,16-17H2,1H3,(H,27,30)
InChIKeyUWDFOMGWYKIOAS-UHFFFAOYSA-N
XLogP4.61
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857539
3-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 66857258
(6R)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 59635752
6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66857994
(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 59635635
(6R)-6-(3-hydroxypropyl)-6-phenyl-3-[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 58109704
6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methylpyrazol-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66857750
(6R)-3-[(1S)-1-[4-(2-hydroxy-2-methylpropyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 58109698
(6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 58109474
3-[(1S)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 66858087
(6S)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 91199263

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 91005848) is 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is CC(c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O.
What is the InChIKey of 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is UWDFOMGWYKIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-19(20-8-10-21(11-9-20)22-12-15-27-24(30)18-22)28-16-14-26(13-5-17-29,32-25(28)31)23-6-3-2-4-7-23/h2-4,6-12,15,18-19,29H,5,13-14,16-17H2,1H3,(H,27,30).
What are the key properties of 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 432.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 91005848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).